2-[4,7-bis(2-methoxy-2-oxidanylidene-ethyl)-10-propyl-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4,7-bis(2-methoxy-2-oxidanylidene-ethyl)-10-propyl-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(2-methoxy-2-oxo-ethyl)-10-propyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(2-methoxy-2-oxoethyl)-10-propyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(2-methoxy-2-oxoethyl)-10-propyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-bis(2-keto-2-methoxy-ethyl)-10-propyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C19H36N4O6 MolecularWeight: 416.51234

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CCN(CCN(CC1)CC(=O)OC)CC(=O)OC)CC(=O)O

Isomeric SMILES

CCCN1CCN(CCN(CCN(CC1)CC(=O)OC)CC(=O)OC)CC(=O)O

InChI

InChI=1S/C19H36N4O6/c1-4-5-20-6-8-21(14-17(24)25)10-11-23(16-19(27)29-3)13-12-22(9-7-20)15-18(26)28-2/h4-16H2,1-3H3,(H,24,25)